SCHEMBL9418529

SCHEMBL9418529

CC(C)(C)c1cc(CP(=O)(O)O)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CP(=O)(O)O)cc(C(C)(C)C)c1O.CC[Ni]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
GAA P10253 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 6/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 3/20 0.50
MAPT P10636 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
ATM Q13315 2/20 0.50
HIF1A Q16665 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
HMGCR P04035 3/20 0.49
LMNA P02545 3/20 0.46
PTPRB P23467 2/20 0.46
PGK1 P00558 1/20 0.46
PGK2 P07205 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL78134 0.93 MEN1 (0.61) KMT2AGAAMEN1ALDH1A1TSHR
Alcohol SCHEMBL28335573 0.92 KMT2A (0.56) KMT2AGAAMEN1ALDH1A1TSHR
SCHEMBL5431932 0.91 MEN1 (0.59) KMT2AGAAMEN1ALDH1A1TSHR
SCHEMBL914947 0.91 MEN1 (0.59) KMT2AGAAMEN1ALDH1A1TSHR
SCHEMBL11438936 0.91 MEN1 (0.59) KMT2AGAAMEN1ALDH1A1TSHR
SCHEMBL1717587 0.91 MEN1 (0.59) KMT2AGAAMEN1ALDH1A1TSHR
SCHEMBL9419687 0.91 MEN1 (0.59) KMT2AGAAMEN1ALDH1A1TSHR
Calcium SCHEMBL912231 0.91 MEN1 (0.59) KMT2AGAAMEN1ALDH1A1TSHR
Magnesium SCHEMBL916083 0.91 MEN1 (0.59) KMT2AGAAMEN1ALDH1A1TSHR
Alcohol SCHEMBL28228202 0.90 KMT2A (0.55) KMT2AGAAMEN1ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0360497-B1 Olefin polymerization catalyst, component thereof and process for polymerizing olefins with the catalyst, the film and injection-molded article from the obtained polyolefin MITSUI PETROCHEMICAL IND (JP) 1994-02-09 EP disclosed
US-5015612-A Titanium-Magnesium Component, Organoaluminum Compound, Electron Donor MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-14 US disclosed
EP-0360497-A2 Olefin polymerization catalyst, component thereof and process for polymerizing olefins with the catalyst, the film and injection-molded article from the obtained polyolefin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-03-28 EP disclosed